cyclohexyl (2S)-2-[(2R)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: cyclohexyl (2S)-2-[(2R)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: cyclohexyl (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid cyclohexyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CCCCC1)N2CC(OC3=C2C=C(C=C3)C(=O)C)C

Isomeric SMILES

CC[C@@H](C(=O)OC1CCCCC1)N2C[C@H](OC3=C2C=C(C=C3)C(=O)C)C

InChI

InChI=1S/C21H29NO4/c1-4-18(21(24)26-17-8-6-5-7-9-17)22-13-14(2)25-20-11-10-16(15(3)23)12-19(20)22/h10-12,14,17-18H,4-9,13H2,1-3H3/t14-,18+/m1/s1